SelfÂ­attractive random polymers Remco vander Hofstad Stieltjes Institute of Mathematics Delft polymer of finite length in Zd . Its law is that of a finite simple random walk path in Zd receiving that for > the attraction dominates the repulsion, i.e., with high probability the polymer is contained in a finite box

and G¨oteborg University, S­412 96 G¨oteborg, Sweden (2) Department of Physics and Astronomy, Rutgers of its non­local nature, the vander Waals interaction is not correctly described by the local or semi in a uniform electron gas the vander Waals interaction is described through the limiting behavior [4, 8, 7

A major goal in Nuclear Physics is the derivation of the Nucleon-Nucleon (NN) interaction from Quantum Chromodynamics (QCD). In QCD the fundamental degrees of freedom are colored quarks and gluons which are confined to form colorless strongly interacting hadrons. Because of this the resulting nuclear forces at sufficiently large distances correspond to spin-flavor excitations, very much like the dipole excitations generating the vander Waals (vdW) forces acting between atoms. We study the Nucleon-Nucleon interaction in the Born-Oppenheimer approximation at second order in perturbation theory including the Delta resonance as an intermediate state. The potential resembles strongly chiral potentials computed either via soliton models or chiral perturbation theory and has a vander Waals like singularity at short distances which is handled by means of renormalization techniques. Results for the deuteron are discussed.

We illustrate computational aspects of the calculation of the potential energy surfaces of small (up to five atoms) vander Waals complexes with high-level quantum chemistry techniques such as the CCSD(T) method with extended basis sets. We discuss the compromise between the required accuracy and the computational time. Further, we show how these potential energy surfaces can be fitted and used in dynamical calculations such as non-reactive inelastic scattering.

A system of three electrolytes separated by two parallel planes is considered. Each region is described by a dielectric constant and a Coulomb fluid in the Debye-H\\"uckel regime. In their book Dispersion Forces, Mahanty and Ninham have given the vander Waals free energy of this system. We rederive this free energy by a different method, using linear response theory and the electrostatic Maxwell stress tensor for obtaining the dispersion force.

We present a formula for the body-assisted vander Waals interaction potential between two atoms, one or both being prepared in an excited energy eigenstate. The presence of arbitrary arrangement for material environment is taken into account via the Green function. The resulting formula supports one of two conflicting findings recorded. The consistency of our formula is investigated by applying it for the case of two atoms in free space and comparing the resulting expression with the one found from the limiting Casimir-Polder potential between an excited atom and a small dielectric sphere.

WE WELCOME HONOURS STUDENTS TO FABI Contributions received from: Johan vander Linde, Gabriel de. and is doing his honours degree under the supervision of Prof Brenda Wingfield. Johan vander Linde joined

The two-dimensional limit of layered materials has recently been realized through the use of vander Waals (vdW) heterostructures composed of weakly interacting layers. In this paper, we describe two different classes of vdW heterostructures: inorganic vdW heterostructures prepared by co-lamination and restacking; and organic-inorganic hetero-epitaxy created by physical vapor deposition of organic molecule crystals on an inorganic vdW substrate. Both types of heterostructures exhibit atomically clean vdW interfaces. Employing such vdW heterostructures, we have demonstrated various novel devices, including graphene/hexagonal boron nitride (hBN) and MoS{sub 2} heterostructures for memory devices; graphene/MoS{sub 2}/WSe{sub 2}/graphene vertical p-n junctions for photovoltaic devices, and organic crystals on hBN with graphene electrodes for high-performance transistors.

The spatial dependence of the vander Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The vander Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moiré pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak vander Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak vander Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction.

Vander Vorst, H.A. Computational Science Curriculum in Utrecht Abstract In 1993 Utrecht University of about 18 years old. 2. The Circumstances in Utrecht The main departments that are involved in Computational Science at Utrecht University are: ffl Department of Mathematics, with chairs in Algebra, Analysis

Combining Blind Equalization with Constant Modulus Properties Alle-Jan vander Veen and Ant, The Netherlands Abstract This paper presents an approach to multi-user blind space- time equalizationexploiting that asks for both a blind equaliza- tion and a blind source separation based on the modulation properties

VANDER WAALS DISPERSION FORCE CONTRIBUTION TO THE INTERFACIAL FREE ENERGY OF NEMATIC LIQUID energy of a nematic liquid crystal and the interfacial free energy of a nematic on a glass substrate. Introduction. -- The surface free energy of a nematic liquid crystal and the interfacial free energy of nematic

Verification of Workflow Nets W.M.P. vander Aalst Eindhoven University of Technology, P.O. Box 513 we focus on a class of Petri nets suitable for the representation, validation and verification of these proce- dures. We will show that the correctness of a procedure represented by such a Petri net can

Charge Density Waves in Exfoliated Films of vander Waals Materials: Evolution of Raman Spectrum graphene-like mechanical exfoliation of TiSe2 crystals to prepare a set of films with different thicknesses

Optimal Server Assignment in a Two-layered Tandem of Multi-Server Queues W. vander Weija, R.D. van and Communication Technology, Delft, The Netherlands We consider a tandem of two multi-server queues, both with an arbitrary number of servers and general service-time distributions. At any moment in time the busy servers

Inspired by the theory of nonlinear conservation laws, we propose a novel approach, in the framework of statistical mechanics, that naturally extends the vander Waals model to the critical region. Starting from an effective microscopic description, we derive the general functional form of its mean field partition function under the assumption named Isochoric Weights Thermodynamic ansatz. The condition that outside the critical region the model reproduces, in the thermodynamic limit, the classical vander Waals equation of state allows to fix uniquely the partition function. We show that isothermal curves develop a classical viscous shock which provides the exact analytical description of the first order gas-liquid transition of simple fluids. The solution obtained holds for finite number of particles and, in the thermodynamic limit, automatically encodes the Maxwell equal areas rule.

The celebrated vander Waals model describes simple fluids in the thermodynamic limit and predicts the existence of a critical point associated to the gas-liquid phase transition. However the behaviour of critical isotherms according to the equation of state, where a gas-liquid phase transition occurs, significantly departs from experimental observations. The correct critical isotherms are heuristically re-established via the Maxwell equal areas rule. A long standing open problem in mean field theory is concerned with the analytic description of vander Waals isotherms for a finite size system that is consistent, in the thermodynamic limit, with the Maxwell prescription. Inspired by the theory of nonlinear conservation laws, we propose a novel mean field approach, based on statistical mechanics, that allows to calculate the vander Waals partition function for a system of large but finite number of particles $N$. Our partition function naturally extends to the whole space of thermodynamic variables, reproduces, in the thermodynamic limit $N\\to \\infty$, the classical results outside the critical region and automatically encodes Maxwell's prescription. We show that isothermal curves evolve in the space of thermodynamic variables like nonlinear breaking waves and the criticality is explained as the mechanism of formation of a classical hydrodynamic shock.

We discuss a possible form for a theory akin to local density functional theory, but able to produce vander Waals energies in a natural fashion. The usual Local Density Approximation (LDA) for the exchange and correlation energy $E_{xc}$ of an inhomogeneous electronic system can be derived by making a quasilocal approximation for the {\\it interacting} density-density response function $\\chi (\\vec{r},\\vec{r} ^{\\prime},\\omega)$, then using the fluctuation-dissipation theorem and a Feynman coupling-constant integration to generate $E_{xc}$. The first new idea proposed here is to use the same approach except that one makes a quasilocal approximation for the {\\it bare} response $\\chi ^{0}$, rather than for $\\chi $. The interacting response is then obtained by solving a nonlocal screening integral equation in real space. If the nonlocal screening is done at the time-dependent Hartree level, then the resulting energy is an approximation to the full inhomogeneous RPA energy: we show here that the inhomogeneous RPA correlation energy contains a vander Waals term for the case of widely-separated neutral subsystems. The second new idea is to use a particularly simple way of introducing LDA-like local field corrrections into the screening equations, giving a theory which should remain reasonable for all separations of a pair of subsystems, encompassing both the vander Waals limit much as in RPA and the bonding limit much as in LDA theory.

We analyze vander Waals interactions between two rigid polymers with sequence-specific, anisotropic polarizabilities along the polymer backbones, so that the dipole moments fluctuate parallel to the polymer backbones. Assuming that each polymer has a quenched-in polarizability sequence which reflects, for example, the polynucleotide sequence of a double-stranded DNA molecule, we study the vander Waals interaction energy between a pair of such polymers with rod-like structure for the cases where their respective polarizability sequences are (i) distinct and (ii) identical, with both zero and non-zero correlation length of the polarizability correlator along the polymer backbones in the latter case. For identical polymers, we find a novel $r^{-5}$ scaling behavior of the vander Waals interaction energy for small inter-polymer separation $r$, in contradistinction to the $r^{-4}$ scaling behavior of distinct polymers, with furthermore a pronounced angular dependence favoring attraction between sufficiently aligned identical polymers. Such behavior can assist the molecular recognition between polymers.

Bovine heart cytochrome c has been immobilized into the mesoporous silica host material SBA-15 in both its native folded and urea-unfolded state. The comparison of the two folding states' behavior casts doubt on the commonly used explanation of cytochrome c adsorption, i.e. the electrostatic interaction model. A detailed investigation of the protein binding as a function of pH and ionic strength of the buffer solution reveals the complex nature of the protein-silica interaction. Electrostatic interaction, vander Waals forces and entropic contributions by counterion release each contribute to adsorption on the silica pore walls.

Bovine heart cytochrome c has been immobilized into the mesoporous silica host material SBA-15 in both its native folded and urea-unfolded state. The comparison of the two folding states' behavior casts doubt on the commonly used explanation of cytochrome c adsorption, i.e. the electrostatic interaction model. A detailed investigation of the protein binding as a function of pH and ionic strength of the buffer solution reveals the complex nature of the protein-silica interaction. Electrostatic interaction, vander Waals forces and entropic contributions by counterion release each contribute to adsorption on the silica pore walls.

We show that microwave spectroscopy of a dense Rydberg gas trapped on a superconducting atom chip in the dipole blockade regime reveals directly the dipole-dipole many-body interaction energy spectrum. We use this method to investigate the expansion of the Rydberg cloud under the effect of repulsive vander Waals forces and the breakdown of the frozen gas approximation. This study opens a promising route for quantum simulation of many-body systems and quantum information transport in chains of strongly interacting Rydberg atoms.

We show that microwave spectroscopy of a dense Rydberg gas trapped on a superconducting atom chip in the dipole blockade regime reveals directly the dipole-dipole many-body interaction energy spectrum. We use this method to investigate the expansion of the Rydberg cloud under the effect of repulsive vander Waals forces and the breakdown of the frozen gas approximation. This study opens a promising route for quantum simulation of many-body systems and quantum information transport in chains of strongly interacting Rydberg atoms.

We consider the effect of atomic hydrogen exposure to a system of two undoped sheets of graphene grown near a silica surface (the first adsorbed to the surface and the second freestanding near the surface). In the absence of atomic hydrogen the vander Waals force between the sheets is attractive at all separations causing the sheets to come closer together. However, with addition of atomic hydrogen between the sheets the long range vander Waals interaction turns repulsive at a critical concentration. The underlying triple layer structure (SiO2 -Atomic Hydrogen Gas -Air) gives rise to a long range repulsion that at large enough separations dominates over the more rapidly decaying attraction between the two-dimensional undoped graphene sheets (and between the outer graphene sheet and SiO2). This may be an avenue to tune the separation between two graphene sheets with the gas concentration. Doping of the graphene layers increases the attractive part of the interaction and hence reduces the net repulsive interaction.

The vander Waals-London's law, for a collection of atoms at large separation, states that their interaction energy is pairwise attractive and decays proportionally to one over their distance to the sixth. The first rigorous result in this direction was obtained by Lieb and Thirring [LT], by proving an upper bound which confirms this law. Recently the vander Waals-London's law was proven under some assumptions by I.M. Sigal and the author [AS]. Following the strategy of [AS] and reworking the approach appropriately, we prove estimates on the remainder of the interaction energy. Furthermore, using an appropriate test function, we prove an upper bound for the interaction energy, which is sharp to leading order. For the upper bound, our assumptions are weaker, the remainder estimates stronger and the proof is simpler. The upper bound, for the cases it applies, improves considerably the upper bound of Lieb and Thirring. However, their bound is much more general. Here we consider only spinless Fermions.

capability by entering a one-word search term only, i.e., "Mies", rather than "Mies vander Rohe".) Â· IIT collection, search the Galvin Library on-line catalog at http://www.gl.iit.edu/. These books may be read's student newspaper at http://archives.iit.edu/technews/. (Please note, you will get the best search

Brownian motion with dry friction: Fokker-Planck approach Hugo Touchette, Erik Vander Straeten Gennes, in which there is a solid-solid or dry friction force acting on a Brownian particle in addition-dependent Fokker-Planck equation. Exact results are found for the case where only dry friction acts on the particle

, Canada N2L 3Gl Received 25th January, 1982 Widths and energies for predissociating levels of Hz-inert-gas Vander Waals molecules are calculated by solving the close-coupling equations for accurate potential-energy for calculating level energiesand widths. None of these is found to be entirely satisfactory, and a new method

advances in laser technology have enabled scientists to create ultra-short light pulses with a durationTitle: The recollision model in ultra-short light fields Prof. H.W. vander Hart Description Recent of the current questions in attosecond physics is the question of how ultra-short light pulses can be shaped

Streaming Currents in a Single Nanofluidic Channel Frank H. J. vander Heyden, Derek Stein numbers: 82.65.+r, 66.90.+r Nanofluidics is an emerging field of interest because of its potential surface. Nanofluidic channels were fabricated following a sili- cate bonding procedure similar to Stein et

The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials. Depending on the strength of the interaction between the molecule and the surface, the binding is typically classified as either physisorption or chemisorption. Vander Waals (vdW) interactions contribute significantly to the binding in physisorbed systems, but the role of the vdW energy in chemisorbed systems remains unclear. Here we study the interaction of benzene with the (111) surface of transition metals, ranging from weak adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When vdW interactions are accurately accounted for, the barrier to adsorption predicted by standard density functional calculations essentially vanishes, producing a metastable precursor state on Pt and Ir surfaces. Notably, vdW forces contribute more to the binding of covalently bonded benzene than they do when benzene is physisorbed.

Different models of self-excited oscillators which are four-dimensional extensions of the vander Pol system are reported. Their symmetries are analyzed. Three of them were introduced to model the release of vortices behind circular cylinders with a possible transition from a symmetric to an antisymmetric Benard-von Karman vortex street. The fourth reported self-excited oscillator is a new model which implements the breaking of the inversion symmetry. It presents the phenomenon of second harmonic generation in a natural way. The parallelism with second harmonic generation in nonlinear optics is discussed. There is also a small region in the parameter space where the dynamics of this system is quasiperiodic or chaotic.

We obtain analytically the exact non-retarded dispersive interaction energy between an atom and a perfectly conducting disc. We consider the atom in the symmetry axis of the disc and assume the atom is predominantly polarizable in the direction of this axis. For this situation we discuss the finite size effects on the corresponding interaction energy. We follow the recent procedure introduced by Eberlein and Zietal together with the old and powerful Sommerfeld's image method for non-trivial geometries. For the sake of clarity we present a detailed discussion of Sommerfeld's image method. Comparing our results form the atom-disc system with those recently obtained for an atom near a conducting plane with a circular aperture, we discus the non-additivity of the vander Waals interactions involving an atom and two complementary surfaces. We show that there is a given ratio z/a between the distance z from the atom to the center of the disc (aperture) and the radius of the disc a (aperture) for which non-additivity effects vanish. Qualitative arguments suggest that this quite unexpected result will occur not only for a circular hole, but for anyother symmetric hole.

Immortality will remain a fantasy for as long as aging is determined by the erroneous biochemical reactions during a particular DNA replication. The replication and base excision repair mechanism, associated to eukaryotic DNA polymerase-beta enzyme are central to maintaining a healthy cell. Here, we give a series of unambiguous theoretical analyses and prove that the exclusive biochemical reaction involved in a single nucleotide insertion into the DNA primer can be efficiently tracked using the renormalized vander Waals interaction of the stronger type, and the Hermansson blue-shifting hydrogen bond effect. We found that there are two biochemical steps involved to complete the insertion of a single dCTP into the 3' end of a DNA primer. First, the O3' (from a DNA primer) initiates the nucleophilic attack on P_alpha?(from an incoming dCTP), in response, O3_alpha (bonded to P_alpha) retaliates by interacting with H' (bonded to O3'). These interactions are shown to be strongly interdependent and require the form...

In membrane simulations, it is known that truncating electrostatic interactions results in artificial ordering of lipids at the truncation distance. However, less attention has been paid to the effect of truncating vander Waals (VDW) interactions. Since the VDW potential decays as r{sup ?6}, it is frequently neglected beyond a cutoff of around 1?nm. In some cases, analytical dispersion corrections appropriate for isotropic systems are applied to the pressure and the potential energy. In this work, we systematically study the effect of truncating VDW interactions at different cutoffs in 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine bilayers with the Berger force field. We show that the area per lipid decreases systematically when the VDW cutoff (r{sub c}) increases. This dependence persists even when dispersion corrections are applied. Since the analytical form of the dispersion correction is only appropriate for isotropic systems, we suggest that a long VDW cutoff should be used in preference over a short VDW cutoff. To determine the appropriate cutoff, we simulate liquid pentadecane with the Berger parameters and find that r{sub c} ? 1.4 nm is sufficient to reproduce the density and the heat of vaporization of pentadecane. Bilayers simulated with r{sub c} ? 1.4 nm show an improved agreement with experiments in both the form factors and the deuterium order parameters. Finally, we report that the VDW cutoff has a significant impact on the lipid flip-flop energetics and an inappropriate short VDW cutoff results in a bilayer that is prone to form water defects across the bilayer.

The inner structure of the {\\gamma}{\\epsilon}-formalisms of Infeld and vander Waerden admits the occurrence of spin-tensor electromagnetic fields which bear invariance under the action of the generalized Weyl gauge group. A concise derivation of the wave equations for such fields is carried out explicitly along with the construction of a set of torsionless covariant-derivative expressions. It is emphatically pointed out that the integration of the wave equations arising herein may under certain circumstances produce significant insights into the situation concerning the description of some physical properties of the cosmic microwave background.

BREAKDOWN OF THE MAGNETIC SURFACE BARRIER IN NIOBIUM BY OXYGEN DIFFUSION G.P. vander Mey, P.H. Kes versus temperature on niobium oxidized at 330 and 200°C showed the existence of a diffusion zone irre- versibility. 1. THE OXYGEN PROFILE.- Oxidation of pure niobium at 400°C for 10 s has been applied

ANISOTROPIC THERMAL CONDUCTIVITY IN A DIRTY TYPE II SUPERCONDUCTOR J.P.M. Vander Veeken, P.H. Kes, The results are compared with calculations by Watts - Tobin and Imai. For dirty type II superconductors) of the total conductivities. ii) The theoretical calculations are valid only for BCS - superconductors

In this work, the solvation and electronic structure of the aqueous chloride ion solution was investigated using Density Functional Theory (DFT) based \\textit{ab initio} molecular dynamics (AIMD). From an analysis of radial distribution functions, coordination numbers, and solvation structures, we found that exact exchange ($E_{\\rm xx}$) and non-local vander Waals (vdW) interactions effectively \\textit{weaken} the interactions between the Cl$^-$ ion and the first solvation shell. With a Cl-O coordination number in excellent agreement with experiment, we found that most configurations generated with vdW-inclusive hybrid DFT exhibit 6-fold coordinated distorted trigonal prism structures, which is indicative of a significantly disordered first solvation shell. By performing a series of band structure calculations on configurations generated from AIMD simulations with varying DFT potentials, we found that the solvated ion orbital energy levels (unlike the band structure of liquid water) strongly depend on the un...

The electric response field of a small spherical metallic cavity to a molecule characterized by fluctuating dipolar and quadrupolar moments is built from spherical tensor theory. The electric susceptibility of the field gradient between the two points inside the metallic cavity is formulated by a general expression of the vander Waals energy between the two partners. The induction contribution is introduced by using the field gradient susceptibilities of the cavity at zero frequency. In order to illustrate the nonlocal effects as well as the importance of the curvature of the metallic cavity on the magnitude of the physisorption energy, we present numerical results for typical systems (HF, HCl on Ag, Al, and Cu). {copyright} {ital 1997} {ital The American Physical Society}

By the first principle calculations based on the vander Waals density functional theory, we study the crystal structures and electronic properties of La-doped phenanthrene. Two stable atomic geometries of La{sub 1}phenanthrene are obtained by relaxation of atomic positions from various initial structures. The structure-I is a metal with two energy bands crossing the Fermi level, while the structure-II displays a semiconducting state with an energy gap of 0.15 eV, which has an energy gain of 0.42 eV per unit cell compared to the structure-I. The most striking feature of La{sub 1}phenanthrene is that La 5d electrons make a significant contribution to the total density of state around the Fermi level, which is distinct from potassium doped phenanthrene and picene. Our findings provide an important foundation for the understanding of superconductivity in La-doped phenanthrene.

Proper inclusion of vander Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many encouraging approaches have been proposed to combine vdW interactions with standard approximate DFT calculations. Despite many vdW studies, there is no consensus on the reliability of vdW methods. To help further development of vdW methods, we have assessed various vdW functionals through the calculation of structural prop- erties at equilibrium, such as lattice constants, bulk moduli, and cohesive energies, for bulk solids, including alkali, alkali-earth, and transition metals, with BCC, FCC, and diamond structures as the ground state structure. These results provide important information for the vdW-related materials research, which is essential for designing and optimizing materials systems for desired physical and chemical properties.

Electron correlations in molecules can be divided in short range dynamical correlations, long range Vander Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f?(r{sub 12}) depending on the interelectronic distance r{sub 12}. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Vander Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f?(r{sub 12}) needs to diverge for large r{sub 12} at large internuclear distances while for shorter bond distances it increases as a function of r{sub 12} to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

A modification of the one-dimensional Fermi accelerator model is considered in this work. The dynamics of a classical particle of mass $m$, confined to bounce elastically between two rigid walls where one is described by a non-linear vander Pol type oscillator while the other one is fixed, working as a re-injection mechanism of the particle for a next collision, is carefully made by the use of a two-dimensional non-linear mapping. Two cases are considered: (i) the situation where the particle has mass negligible as compared to the mass of the moving wall and does not affect the motion of it; (ii) the case where collisions of the particle does affect the movement of the moving wall. For case (i) the phase space is of mixed type leading us to observe a scaling of the average velocity as a function of the parameter ($\\c{hi}$) controlling the non-linearity of the moving wall. For large $\\c{hi}$, a diffusion on the velocity is observed leading us to conclude that Fermi acceleration is taking place. On the other hand for case (ii), the motion of the moving wall is affected by collisions with the particle. However due to the properties of the vander Pol oscillation, the moving wall relaxes again to a limit cycle. Such kind of motion absorbs part of the energy of the particle leading to a suppression of the unlimited energy gain as observed in case (i). The phase space shows a set of attractors of different periods whose basin of attraction has a complicate organization.

W interactions play a central role in the fields of supramolecular chemistry and nano-materials, in which non" supramolecular host­guest complex, and cohesion in oligoacene molecular crystals. We find that the beyond) methods for treating many-body vdW interactions in complex materials. 1 Introduction The relevance of van

Accurate predictions of vander Waals forces require faithful models of dispersion, permanent and induced multipole-moments, as well as penetration and repulsion. We introduce a universal combined physics- and data-driven model of dispersion and multipole-moment contributions, respectively. Atomic multipoles are estimated "on-the-fly" for any organic molecule in any conformation using a machine learning approach trained on quantum chemistry results for tens of thousands of atoms in varying chemical environments drawn from thousands of organic molecules. Globally neutral, cationic, and anionic molecular charge states can be treated with individual models. Dispersion interactions are included via recently-proposed classical many-body potentials. For nearly one thousand intermolecular dimers, this approximate vander Waals model is found to reach an accuracy similar to that of state-of-the-art force fields, while bypassing the need for parametrization. Estimates of cohesive energies for the benzene crystal confi...

In order to understand why carbon dioxide (CO$_2$) and methane (CH$_4$) molecules interact differently with surfaces, we investigate the Casimir-Polder energy of a linearly polarizable CO$_2$ molecule and an isotropically polarizable CH$_4$ molecule in front of an atomically thin gold film and an amorphous silica slab. We quantitatively analyze how the anisotropy in the polarizability of the molecule influences the vander Waals contribution to the binding energy of the molecule.

The theoretical description of sparse matter attracts much interest, in particular for those groundstate properties that can be described by density functional theory (DFT). One proposed approach, the vander Waals density functional (vdW-DF) method, rests on strong physical foundations and offers simple yet accurate and robust functionals. A very recent functional within this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B, in print] stands out in its attempt to use an exchange energy derived from the same plasmon-based theory from which the nonlocal correlation energy was derived. Encouraged by its good performance for solids, layered materials, and aromatic molecules, we apply it to several systems that are characterized by competing interactions. These include the ferroelectric response in PbTiO3, the adsorption of small molecules within metal-organic frameworks (MOFs), the graphite/diamond phase transition, and the adsorption of an aromaticmolecule on the Ag(111) surface. Our results indicate that vdW-DF-cx is overall well suited to tackle these challenging systems. In addition to being a competitive density functional for sparse matter, the vdW-DF-cx construction presents a more robust general purpose functional that could be applied to a range of materials problems with a variety of competing interactions.

The theoretical description of sparse matter attracts much interest, in particular for those ground-state properties that can be described by density functional theory. One proposed approach, the vander Waals density functional (vdW-DF) method, rests on strong physical foundations and offers simple yet accurate and robust functionals. A very recent functional within this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)] stands out in its attempt to use an exchange energy derived from the same plasmon-based theory from which the nonlocal correlation energy was derived. Encouraged by its good performance for solids, layered materials, and aromatic molecules, we apply it to several systems that are characterized by competing interactions. These include the ferroelectric response in PbTiO{sub 3}, the adsorption of small molecules within metal-organic frameworks, the graphite/diamond phase transition, and the adsorption of an aromatic-molecule on the Ag(111) surface. Our results indicate that vdW-DF-cx is overall well suited to tackle these challenging systems. In addition to being a competitive density functional for sparse matter, the vdW-DF-cx construction presents a more robust general-purpose functional that could be applied to a range of materials problems with a variety of competing interactions.

In this paper, an incommensurate fractional order (FO) model has been proposed to generate ECG like waveforms. Earlier investigation of ECG like waveform generation is based on two identical Van-der Pol (VdP) family of oscillators which are coupled by time delays and gains. In this paper, we suitably modify the three state equations corresponding to the nonlinear cross-product of states, time delay coupling of the two oscillators and low-pass filtering, using the concept of fractional derivatives. Our results show that a wide variety of ECG like waveforms can be simulated from the proposed generalized models, characterizing heart conditions under different physiological conditions. Such generalization of the modelling of ECG waveforms may be useful to understand the physiological process behind ECG signal generation in normal and abnormal heart conditions. Along with the proposed FO models, an optimization based approach is also presented to estimate the VdP oscillator parameters for representing a realistic ECG like signal.

In this work, the solvation and electronic structure of the aqueous chloride ion solution was investigated using Density Functional Theory (DFT) based \\textit{ab initio} molecular dynamics (AIMD). From an analysis of radial distribution functions, coordination numbers, and solvation structures, we found that exact exchange ($E_{\\rm xx}$) and non-local vander Waals (vdW) interactions effectively \\textit{weaken} the interactions between the Cl$^-$ ion and the first solvation shell. With a Cl-O coordination number in excellent agreement with experiment, we found that most configurations generated with vdW-inclusive hybrid DFT exhibit 6-fold coordinated distorted trigonal prism structures, which is indicative of a significantly disordered first solvation shell. By performing a series of band structure calculations on configurations generated from AIMD simulations with varying DFT potentials, we found that the solvated ion orbital energy levels (unlike the band structure of liquid water) strongly depend on the underlying molecular structures. In addition, these orbital energy levels were also significantly affected by the DFT functional employed for the electronic structure; as the fraction of $E_{\\rm xx}$ was increased, the gap between the highest occupied molecular orbital of Cl$^-$ and the valence band maximum of liquid water steadily increased towards the experimental value.

of (re)development processes. Together they cover the life cycle of a system. A process recursively be adopted by everyone. Therefore, it does not prescribe how systems should be developed or maintained concepts. Software engineering is concerned with the development and maintenance of software systems

Differences in polarizabilities of metallic (M) and semiconducting (S) single-walled carbon nanotubes (SWNTs) might give rise to differences in adsorption potentials. We show from experiments and vander Waals-corrected density functional theory (DFT) that binding energies of Xe adsorbed on M- and S-SWNTs are nearly identical. Temperature programmed desorption of Xe on purified M- and S-SWNTs give similar peak temperatures, indicating that desorption kinetics and binding energies are independent of the type of SWNT. Binding energies computed from vdW-corrected DFT are in good agreement with experiments.

We analyze the benzene/Au(111) interface taking into account charging energy effects to properly describe the electronic structure of the interface and vander Waals interactions to obtain the adsorption energy and geometry. We also analyze the interface dipoles and discuss the barrier formation as a function of the metal work-function. We interpret our DFT calculations within the induced density of interface states (IDIS) model. Our results compare well with experimental and other theoretical results, showing that the dipole formation of these interfaces is due to the charge transfer between the metal and benzene, as described in the IDIS model.

Phenomenologically important quantum dissipative processes include black-body friction (an atom absorbs counterpropagating blue-shifted photons and spontaneously emits them in all directions, losing kinetic energy) and non-contact vander Waals friction (in the vicinity of a dielectric surface, the mirror charges of the constituent particles inside the surface experience drag, slowing the atom). The theoretical predictions for these processes are modified upon a rigorous quantum electrodynamic (QED) treatment, which shows that the one-loop "correction" yields the dominant contribution to the off-resonant, gauge-invariant, imaginary part of the atom's polarizability at room temperature, for typical atom-surface interactions. The tree-level contribution to the polarizability dominates at high temperature.

- guishing four viewpoints on multiagent systems: a mind structure, a power structure, a dependence structureAn Abstraction from Power to Coalition Structures Guido Boella1 and Luigi Sauro2 and Leendert van structures, and an abstraction from this power to its coalition structure. 1 Power Structure Power structures

The DFT/vdW-WF2s1 method, recently developed to include the vander Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking metal-screening effects into account, is applied to the case of the interaction of Xe and graphene with a transition-metal surface, namely Ni(111). In general the adsorption of rare-gas atoms on metal surfaces is important because is prototypical for physisorption processes. Moreover, the interaction of graphene with Ni(111) is of particular interest for practical applications (efficient and large-scale production of high-quality graphene) and, from a theoretical point of view, is particularly challenging, since it can be described by a delicate interplay between chemisorption and physisorption processes. The first-principles simulation of transition metals require particular care also because they can be viewed as intermediate systems between simple metals and insulating crystals. Even in these cases the method performs well as d...

Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals for water remains a matter of considerable debate. This is particularly true in light of the recent development of DFT based methods that account for vander Waals (vdW) dispersion forces. Here, we report a detailed study with several xc functionals (semi-local, hybrid, and vdW inclusive approaches) on ice Ih and six proton ordered phases of ice. Consistent with our previous study [Phys. Rev. Lett. 107, 185701 (2011)] which showed that vdW forces become increasingly important at high pressures, we find here that all vdW inclusive methods considered improve the relative energies and transition pressures of the high-pressure ice phases compared to those obtained with semi-local or hybrid xc functionals. However, we also find that significant discrepancies between experiment and the vdW inclusive approaches remain in the cohesive properties of the various phases, causing certain phases to be absent from the phase diagram. Therefore, room for improvement in the description of water at ambient and high pressures remains and we suggest that because of the stern test the high pressure ice phases pose they should be used in future benchmark studies of simulation methods for water.

The Density Functional Theory (DFT)/vander Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H{sub 2}, H{sub 2}O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems.

for youth and for overcoming poverty. Fuel ­ investment in renewable energy capacity was $160 billion, is contaminating the entire sector, and is affecting businesses and jobs around the world. The fuel crisis and fuel crises have put 950 million people worldwide at risk of hunger and malnutrition. These crises

We studied photodecomposition dynamics of (SO{sub 2}?XH) Vander Waals’ (VdW) complexes and clusters in gas phase, with X = C{sub 2}H, C{sub 2}H{sub 3}, and C{sub 2}H{sub 5}. SO{sub 2} was excited by frequency-doubled radiation of a tunable dye laser and resonance-enhanced multiphoton ionization was used to detect the C{sub 2}H (m/z 25), C{sub 2}H{sub 3} (m/z 27), and C{sub 2}H{sub 5} (m/z 29) ions by time-of-flight mass spectroscopy. Spectra obtained at higher nozzle pressures (P{sub 0} > 2.5 atm) indicate formation of clusters. Detailed studies of the VdW complex structure were carried out by analyzing the rotational structure of the respective action spectra. We also performed ab initio theoretical analysis of structures of the VdW complexes and transitional states leading to photodecomposition. We find that the structure of the transition state is significantly different as compared to the equilibrium ground-state structure of the respective complex. The photodecomposition mechanism depends on the hydrocarbon molecule bound to SO{sub 2}.

]. For example, the statement "if Napoleon won in 1812 then we all would speak French" is counterfactual, since it involves a sup- position ("Napoleon won in 1812") that is in fact false. Classical logic is of no use when

]. For example, the statement ``if Napoleon won in 1812 then we all would speak French'' is counterfactual, since it involves a sup­ position (``Napoleon won in 1812'') that is in fact false. Classical logic is of no use

The web site Van Oldenborgh Over the last few years the knmi web site (www.knmi.nl) has grown into an important communication channel, also for Climate Research and Seismology. In fact, as the World-Wide Web · The target audience of the Climate Research and Seismology Department part of knmi web site can be roughly

efficient code, and is suitable for implementing industrial-strength software applications-user applications have been written in Haskell. Based on our experience with the development of the Bayesian network tool- box Dazzle, we argue that the language is indeed very well suited for writing such applications

for very different purposes. The term process mining refers to the techniques and tools to extract) and "Business Process Intelligence" (BPI) both academic (e.g., EMiT, Little Thumb, InWoLvE, Process Miner page for a more complete overview. The goal of process mining is to extract information about processes

Distributed energy resources (DER) are quickly making their way to industry primarily as backup generation. They are effective at starting and then producing full-load power within a few seconds. The distribution system is aging and transmission system development has not kept up with the growth in load and generation. The nation's transmission system is stressed with heavy power flows over long distances, and many areas are experiencing problems in providing the power quality needed to satisfy customers. Thus, a new market for DER is beginning to emerge. DER can alleviate the burden on the distribution system by providing ancillary services while providing a cost adjustment for the DER owner. This report describes 10 types of ancillary services that distributed generation (DG) can provide to the distribution system. Of these 10 services the feasibility, control strategy, effectiveness, and cost benefits are all analyzed as in the context of a future utility-power market. In this market, services will be provided at a local level that will benefit the customer, the distribution utility, and the transmission company.

’ and ‘Der Sandmann’. This chapter also attempts a hermeneutics of the fantastic by discussing each of the above mentioned stories in relation to morality, meaning and intention. Attempts to dismiss the putatively supernatural elements in Der Tod in Venedig...

the dynamics of arrays of transient cavitation bubbles exposed to a sound field in a planar geometry. Single with a digital hologram and focusing it into a thin gap of liquid. The liquid is driven with an oscillating with high-speed photography with a two-dimensional Rayleigh model. For multibubble configura- tions we

differ between men and women, and how menopause and estrogens might be involved in this risk difference against chronic diseases of aging, such as cardiovascular disease, breast cancer, osteoporosis diabetics have been submitted. The third and most important area is the role of menopause and estrogens

.m.p.v.d.aalst}@tue.nl Abstract. It is vital to use accurate models for the analysis, design, and/or control of business processes and efficiency of important busi- ness processes. PAISs provide a means to support, control, and monitor oper, the performance of their business processes. In most of these simulation approaches, however, the models used

on the SOAR Adaptive Module, SAM, including some results of tests of the Natural Guide Star mode: image of SAM has been described in Refs. 7,10. A pair of off-axis parabolic mirrors re-images the focal planeSAM sees the light Andrei Tokovinin, Roberto Tighe, Patricio Schurter, Rolando Cantarutti, Nicole

potentials for these materials. INTRODUCTION Mesoscale self-assembly has been identified as a promising area the electronic structure of a material is paramount to the design of mesoscale systems. The vdW-Ld interactions

by the American Institute of Physics. Related Articles Global existence and nonrelativistic limit for the Vlasov. In the approximation where the quantum fluctuations of the Maxwell field are ignored, only the electrostatic Coulomb power law, but the prefactor is now a bilinear form in the electric and magnetic dipole moments

telescopes are a new development in radio astronomy. Rather than using expensive dishes, they form telescope, is a prime example of a software radio telescope. In this paper, we discuss an optimized filters efficiently on GPUs, and also discuss hardware limitations and energy efficiency. Categories

depends on the current crude oil market price and expectations concerning price movements. Although markets is to compute an expected value of such contracts as a basis for trading decisions. The Cox, Ross and Rubinstein (CRR) binomial tree model is a popular discrete approach to such compu- tations, which requires

London's polarization model is extended over a wide range of VdW attraction. At low temperature the VdW attraction is the main competitor to the Casimir force. As the temperature is raised, the VdW force decreases by virtue of the polsrizability falling down gradually. This trend is advanced in multilevel systems. such as the off-center defects, where the polarizability is renormalized through electron-vibrational mode coupling to gain a multiple vibronic enhancement by many orders of magnitude. Applications to high-Tc superconductivity and cosmology are conceivable.

´i Klimes,1 David R. Bowler,2 and Angelos Michaelides1,* 1 London Centre for Nanotechnology and Department of Chemistry, University College London, London WC1E 6BT, UK 2 London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, London WC1E 6BT, UK (Received 1 February 2011; revised

Professor Garret van Ryzin1 Columbia University Columbia Business School Wednesday April 27, Time Garrett is the Paul M. Montrone Professor of Decision, Risk and Operations at the Columbia University Columbia University, and the degrees of S.M. in Electrical Engineering and Computer Science and Ph

The Department of Energy (DOE) has carried out an intensive study of battery requirements for electric vans, and developed a mission-directed goals package for each of the principal battery contenders for this application. These goals were based on the assumption that vehicle range and acceleration must be fully met throughout each battery discharge. Under this assumption, the design point is the end-of-life condition, defined as the last cycle in which both power and energy requirements can be fulfilled. A light-weight, low-rolling-resistance van with an improved version of the ac powertrain being developed by Eaton was chosen as the hypothetical baseline vehicle. A modified FUDS cycle was selected along with assumptions of 3 M/sup 2/ frontal area, 0.37 drag coefficient, and a rolling resistance of 0.008. State-of-art characteristics and design interrelationships were developed for each battery technology, and the degree of advance expected by 1995 was projected. For each battery candidate, a least-cost combination of performance and operating characteristics was determined. The analysis included the peak power vs specific energy and depth-of-discharge (DOD), cycle life vs DOD, cost vs onboard energy and power, and kWh size effects. The resultant R and D goals for the electric van battery are presented, including early-in-life and end-of-life energy over the drive cycle, peak power, battery weight and volume, battery life, costs, and allowable frequency of repair.

Unified Description of Bulk and Interface-Enhanced Spin Pumping S. M. Watts, J. Grollier,* C. H in semiconductors or metals by rf magnetic field pumping. With a semiclassical model we show that a rotating applied dynamics of a ferromagnetic electrode into or out of which the spin currents flow. In spin-pumping devices

and conversations with volunteer amateur radio operators, members of the print and broadcast media in Ft. Smith to the U.S. Congress, to local government officials in Ft. Smith and Van Buren, and to the media on May 21Natural Disaster Survey Report Ft. Smith and Van Buren, Arkansas, Tornado of April 21, 1996 U

This fact sheet describes how the National Renewable Energy Laboratory's Fleet Test and Evaluation team evaluated the 12-month, in-service performance of six Class 4 hybrid electric delivery vans - fueled by regular diesel - and six comparable conventional diesel vans operated by the United Parcel Service.

Survival SVM: a Practical Scalable Algorithm V. Van Belle, K. Pelckmans, J.A.K. Suykens and S. Van in the theory of statisti- cal learning, integration of techniques from convex optimization, and nonlinear of the survival problem as a classification problem, dividing the time axis in a number of predefined intervals

primary and secondary paths com- puted by an OpenFlow controller. Our implementation reduces the recoveryFast Recovery in Software-Defined Networks Niels L. M. van Adrichem, Benjamin J. van Asten shortest paths may result in an unacceptably long recovery time. In this paper, we demonstrate that current

Energy shaping of port-Hamiltonian systems by using alternate passive outputs Aneesh Venkatraman the energy in a desired manner. I. INTRODUCTION Port-Hamiltonian models [1] encompass a very large class storage elements and are characterized by a set of energy-storing elements, resistive ports and external

configuration. We placed graphene (which is normally a semimetal) on top of hexagonal boron nitride (hBN; normally a large-bandgap insulator) and found that graphene became a semiconductor. In other words, we opened a bandgap in the graphene electronic structure and imparted the normally massless Dirac fermions

PHYSICAL REVIEW B 86, 245405 (2012) Benzene adsorbed on metals: Concerted effect of covalency, but the role of the vdW energy in chemisorbed systems remains unclear. Here we study the interaction of benzene of covalently bonded benzene than they do when benzene is physisorbed. Comparison to experimental data

to the development of renewable energy sources, including photovoltaics (solar cells), solar thermal, wind, biomass, USA Received 26 January 2005; accepted 4 May 2005 Available online 20 June 2005 Abstract on pseudopotential ground state energy calculations in the Generalized Gradient approximation (GGA). The cluster

This report covers work performed in Phase II of a two phase project whose objective was to demonstrate the aggregation of multiple Distributed Energy Resources (DERs) and to offer them into the energy market. The Phase I work (DE-FC36-03CH11161) created an integrated, but distributed, system and procedures to monitor and control multiple DERs from numerous manufacturers connected to the electric distribution system. Procedures were created which protect the distribution network and personnel that may be working on the network. Using the web as the communication medium for control and monitoring of the DERs, the integration of information and security was accomplished through the use of industry standard protocols such as secure SSL,VPN and ICCP. The primary objective of Phase II was to develop the procedures for marketing the power of the Phase I aggregated DERs in the energy market, increase the number of DER units, and implement the marketing procedures (interface with ISOs) for the DER generated power. The team partnered with the Midwest Independent System Operator (MISO), the local ISO, to address the energy market and demonstrate the economic dispatch of DERs in response to market signals. The selection of standards-based communication technologies offers the ability of the system to be deployed and integrated with other utilities’ resources. With the use of a data historian technology to facilitate the aggregation, the developed algorithms and procedures can be verified, audited, and modified. The team has demonstrated monitoring and control of multiple DERs as outlined in phase I report including procedures to perform these operations in a secure and safe manner. In Phase II, additional DER units were added. We also expanded on our phase I work to enhance communication security and to develop the market model of having DERs, both customer and utility owned, participate in the energy market. We are proposing a two-part DER energy market model--a utility need business model and an independent energy aggregator-business model. The approach of developing two group models of DER energy participation in the market is unique. The Detroit Edison (DECo, Utility)-led team includes: DTE Energy Technologies (Dtech, DER provider), Electrical Distribution Design (EDD, Virginia Tech company supporting EPRI’s Distribution Engineering Workstation, DEW), Systems Integration Specialists Company (SISCO, economic scheduling and real-time protocol integrator), and OSIsoft (PI software system for managing real-time information). This team is focused on developing the application engineering, including software systems necessary for DER’s integration, control and sale into the market place. Phase II Highlights Installed and tested an ICCP link with SSL (security) between DECo, the utility, and DTE Energy Technologies (DTECH), the aggregator, making DER data available to the utility for both monitoring and control. Installed and tested PI process book with circuit & DER operational models for DECo SOC/ROC operator’s use for monitoring of both utility circuit and customer DER parameters. The PI Process Book models also included DER control for the DECo SOC/ROC operators, which was tested and demonstrated control. The DER Tagging and Operating Procedures were developed, which allowed that control to be done in a safe manner, were modified for required MOC/MISO notification procedures. The Distribution Engineering Workstation (DEW) was modified to include temperature normalized load research statistics, using a 30 hour day-ahead weather feed. This allowed day-ahead forecasting of the customer load profile and the entire circuit to determine overload and low voltage problems. This forecast at the point of common coupling was passed to DTech DR SOC for use in their economic dispatch algorithm. Standard Work Instructions were developed for DER notification, sale, and operation into the MISO market. A software mechanism consisting of a suite of new and revised functionality was developed that integrated with the local ISO such that offe

kompaktieren als Nanopulver, was durch eine ex-situ Bestimmung der Probendichten nach der Kompaktierung best and the impedance of the sample which have been characterised by impedance spectroscopy in the frequency range from force is found for the nanopowder while a power law is found for the micropowder. With the measured

The term ''Distributed energy resources'' or DER refers to a variety of compact, mostly self-contained power-generating technologies that can be combined with energy management and storage systems and used to improve the operation of the electricity distribution system, whether or not those technologies are connected to an electricity grid. Implementing DER can be as simple as installing a small electric generator to provide backup power at an electricity consumer's site. Or it can be a more complex system, highly integrated with the electricity grid and consisting of electricity generation, energy storage, and power management systems. DER devices provide opportunities for greater local control of electricity delivery and consumption. They also enable more efficient utilization of waste heat in combined cooling, heating and power (CHP) applications--boosting efficiency and lowering emissions. CHP systems can provide electricity, heat and hot water for industrial processes, space heating and cooling, refrigeration, and humidity control to improve indoor air quality. DER technologies are playing an increasingly important role in the nation's energy portfolio. They can be used to meet base load power, peaking power, backup power, remote power, power quality, as well as cooling and heating needs. DER systems, ranging in size and capacity from a few kilowatts up to 50 MW, can include a number of technologies (e.g., supply-side and demand-side) that can be located at or near the location where the energy is used. Information pertaining to DER technologies, application solutions, successful installations, etc., can be found at the U.S. Department of Energy's DER Internet site [1]. Market forces in the restructured electricity markets are making DER, both more common and more active in the distribution systems throughout the US [2]. If DER devices can be made even more competitive with central generation sources this trend will become unstoppable. In response, energy providers will be forced to both fully acknowledge the trend and plan for accommodating DER [3]. With bureaucratic barriers [4], lack of time/resources, tariffs, etc. still seen in certain regions of the country, changes still need to be made. Given continued technical advances in DER, the time is fast approaching when the industry, nation-wide, must not only accept DER freely but also provide or review in-depth technical assessments of how DER should be integrated into and managed throughout the distribution system. Characterization studies are needed to fully understand how both the utility system and DER devices themselves will respond to all reasonable events (e.g., grid disturbances, faults, rapid growth, diverse and multiple DER systems, large reactive loads). Some of this work has already begun as it relates to operation and control of DER [5] and microturbine performance characterization [6,7]. One of the most urgently needed tools that can provide these types of analyses is a distribution network analysis program in combination with models for various DER. Together, they can be used for (1) analyzing DER placement in distribution networks and (2) helping to ensure that adequate transmission reliability is maintained. Surveys of the market show products that represent a partial match to these needs; specifically, software that has been developed to plan electrical distribution systems and analyze reliability (in a near total absence of DER). The first part of this study (Sections 2 and 3 of the report) looks at a number of these software programs and provides both summary descriptions and comparisons. The second part of this study (Section 4 of the report) considers the suitability of these analysis tools for DER studies. It considers steady state modeling and assessment work performed by ORNL using one commercially available tool on feeder data provided by a southern utility. Appendix A provides a technical report on the results of this modeling effort.

annihilation, searches for exotic particles and the measurement of neutrino oscillations, are also reviewedRecent results from the ANTARES neutrino telescope V´eronique Van Elewycka , on behalf Cit´e, France Abstract The ANTARES neutrino telescope is currently the largest operating water

Autocatalytic models describing ruminal in situ digestion J Van Milgen INRA, Station de Recherche sur la Nutrition des Herbivores, Theix, 63122 Saint-Genès-Champanelle, France Digestion of particulate avail- ability. Although microbes can be considered the cause of digestion, they are also the result

Chapter 6 DHV water pumping optimization Simon van Mourik1 Joris Bierkens2 Hans Stigter1 Martijn for optimizing a drinking water network over a horizon of 48 hours, given variable water demands, energy prices and constraints on the pumping strategy and water levels in the reservoirs. Both the dynamic model and goal

DNA IN THE UK By Erica Van Coverden Dr. Kelly Goodwin, a microbiologist at AOML, finished up. Those proteins then would be sequenced and the amino acid sequence would be used to backtrack to the DNA sequence that codes for that protein. In another approach, total DNA was extracted, digested

time of wave energy radiated by an Agulhas ring released in the South Atlantic Ocean to the North is the mixing of warm and salty Indian Ocean water into the Atlantic near South Africa in the form of AgulhasFast Northward Energy Transfer in the Atlantic due to Agulhas Rings ERIK VAN SEBILLE AND PETER JAN

requirements for the use of large capacity passenger vans, regardless of the number of seats installed) research shows that the risk of a rollover crash with large capacity passenger vans is reduced when.pdf.) 1.2 Large-capacity vans, those typically referred to as 10-15 passenger vans, are commonly used

Fault Process and Broadband Ground-Motion Simulations of the 23 October 2011 Van (Eastern Turkey Abstract On 23 October 2011 an Mw 7.1 earthquake occurred in eastern Turkey, close to the towns of Van.1 Van earthquake occurred on 23 October 2011 in eastern Turkey, close to the towns of Van and Erci

Eddy currents in a transverse MRI gradient coil. J.M.B. Kroot, S.J.L. van Eijndhoven, A.A.F. van de logarithmically singular kernel represents inductive effects related to the occurrence of eddy currents on the development of eddy currents in the gradient coils, which have a negative effect on the uniformity

1Electricity from Sunlight: The Van Allen Probes Solar Panels NASA's twin Van Allen Probes of the surrounding four solar panel `wings' that provide power to the spacecraft instruments. The small blue rectangles within each of the four solar panels show the location of the solar cells used to power

Ordered Operator Spaces and some K-groups. Wend Werner SFB 478 { Geometrische Strukturen in der Mathematik-chosen C*-algebras. The principal motivation comes from the construction we sketch in an appendix be constructed using the multiplier algebra. This construction, however, does not comply with all conditions one

Radio Number for Trees Daphne Der-Fen Liu Department of Mathematics California State University be a connected graph with diameter diam(G). The radio number for G, denoted by rn(G), is the smallest integer k bound for the radio number of trees, and characterize the trees achiev- ing this bound. Moreover, we

This fact sheet describes the performance evaluation of United Parcel Service's second-generation hybrid-electric delivery vans. The Fleet Test and Evaluation Team at the National Renewable Energy Laboratory (NREL) is evaluating the 18-month, in-service performance of 11 of these vans along with 11 comparable conventional diesel vans operating in Minneapolis, Minnesota. As a complement to the field study, the team recently completed fuel economy and emissions testing at NREL's Renewable Fuels and Lubricants (ReFUEL) laboratory.

This fact sheet describes UPS second generation hybrid-electric delivery vehicles as compared to conventional delivery vehicles. Medium-duty commercial vehicles such as moving trucks, beverage-delivery trucks, and package-delivery vans consume almost 2,000 gal of fuel per year on average. United Parcel Service (UPS) operates hybrid-electric package-delivery vans to reduce the fuel use and emissions of its fleet. In 2008, the National Renewable Energy Laboratory's (NREL's) Fleet Test and Evaluation Team evaluated the first generation of UPS' hybrid delivery vans. These hybrid vans demonstrated 29%-37% higher fuel economy than comparable conventional diesel vans, which contributed to UPS' decision to add second-generation hybrid vans to its fleet. The Fleet Test and Evaluation Team is now evaluating the 18-month, in-service performance of 11 second-generation hybrid vans and 11 comparable conventional diesel vans operated by UPS in Minneapolis, Minnesota. The evaluation also includes testing fuel economy and emissions at NREL's Renewable Fuels and Lubricants (ReFUEL) Laboratory and comparing diesel particulate filter (DPF) regeneration. In addition, a followup evaluation of UPS' first-generation hybrid vans will show how those vehicles performed over three years of operation. One goal of this project is to provide a consistent comparison of fuel economy and operating costs between the second-generation hybrid vans and comparable conventional vans. Additional goals include quantifying the effects of hybridization on DPF regeneration and helping UPS select delivery routes for its hybrid vans that maximize the benefits of hybrid technology. This document introduces the UPS second-generation hybrid evaluation project. Final results will be available in mid-2012.

We study van Dam-Veltman-Zakharov discontinuity in the topologically new massive gravity (TNMG). The reduction from 2 degrees of freedom to one is interpreted as van Dam-Veltman-Zakharov discontinuity appeared when going from anti-de Sitter spacetime to Minkowski spacetime in the linearized TNMG.

This report describes a Cooperative Research and Development Agreement (CRADA) between Salt River Project Agricultural Improvement and Power District (SRP) and Sandia National Laboratories to jointly develop advanced methods of controlling distributed energy resources (DERs) that may be located within SRP distribution systems. The controls must provide a standardized interface to allow plug-and-play capability and should allow utilities to take advantage of advanced capabilities of DERs to provide a value beyond offsetting load power. To do this, Sandia and SRP field-tested the IEC 61850-7-420 DER object model (OM) in a grid environment, with the goal of validating whether the model is robust enough to be used in common utility applications. The diesel generator OM tested was successfully used to accomplish basic genset control and monitoring. However, as presently constituted it does not enable plug-and-play functionality. Suggestions are made of aspects of the standard that need further development and testing. These problems are far from insurmountable and do not imply anything fundamentally unsound or unworkable in the standard.

This evaluation compared six hybrids and six standard diesels in UPS facilities in Phoenix, Arizona. Dispatch and maintenance practices are the same at both facilities. GPS logging, fueling, and maintenance records are used to evaluate the performance of these step delivery vans. The hybrids' average monthly mileage rate was 18% less than the diesel vans. The hybrids consistently were driven a fewer number of miles throughout the evaluation period. The hybrids idled more and operating at slower speeds than the diesels, and the diesels spent slightly more time operating at greater speeds, accounting for much of the hybrids fewer monthly miles. The average fuel economy for the hybrid vans is 13.0 mpg, 23% greater than the diesel vans 10.6 mpg. Total hybrid maintenance cost/mile of $0.141 was 9% more than the $0.130 for the diesel vans. Propulsion-related maintenance cost/mile of $0.037 for the hybrid vans was 25% more than the $0.029 for the diesel vans. Neither difference was found to be statistically significant. The hybrid group had a cumulative average of 96.3% uptime, less than the diesel group's 99.0% uptime. The hybrids experienced troubleshooting and recalibration issues related to prototype components that were primarily responsible for the lower uptime figures.

that return to earth in the form of acid depositions or "acid rain." Acid rain is one of the biggest environmental problems at present. Sulfur dioxide is the major contributor to acid rain and a generator of soot. The process of SO2 and water form- ing acid rain has been studied for some time in order to determine

and the Institute for Information Systems (IWi) of the Saarland University in a collaborative re- search project.d.aalst|m.h.jansen-vullers}@tm.tue.nl Abstract. Off-the-shelf packages such as SAP need to be configured to suit the requirements of an organization. Reference models support the configuration of these systems. Existing reference models use rather

between graphene layers Jalal Sarabadani,1,2 Ali Naji,3,4,* Reza Asgari,4 and Rudolf Podgornik2,5,6 1 interactions between two apposed graphene layers, a graphene layer and a substrate, and in a multilamellar graphene system are analyzed within the framework of the Lifshitz theory. This formulation hinges

of Technology, Cambridge, Massachusetts 02139 Received 9 October 2000; published 21 March 2001 Lithium ordering that apart from the in-plane Li-Li interactions, the stability of ordered LixMO2 structures strongly depends on the interlayer Li-Li interactions through the M cations. When several stacking sequences are possible

. In particular, resource-constrained embedded devices, like RFIDs, are typically vulner- able to physical attacks benefit from reconfigurable PUFs, whose challenge/response A preliminary version of this report that has

). Periodic solutions are investigated, an invariant interval for the Abel equation is studied, and numerical simulations and visualizations with di?erent coe?cients are illustrated. The other model is the Korteweg-de Vries-Burgers (Kd...

, The Netherlands. w.m.p.v.d.aalst@tue.nl Abstract Classical workflow notations primarily support monolithic. Reality cannot be captured in a structured monolithic workflow model. Another reason is that an effective in the initial phases of workflow specification do not fit well with the predominant data-centric implementation

A study was carried out on the potential for natural convection and the effect of natural convection in a High Heat Flux Tank, Tank 241-C-106, at the Hanford Reservation. To determine the existence of natural convection, ...

three famous manuscripts: "Howard Hughes' Autobiography," "Hitler's Diary," and the Mormon Church." The case of the "Hitler diaries" illustrates the potential power of objects to revise political and social history. In the early 1980's Newsweek magazine published a special report on "Hitler's 'Secret' Diaries

The adsorption of benzene and C60 on graphene and boron nitride (BN) is studied using density functional theory with the non-local correlation functional vdW-DF. By comparing these systems we can systematically investigate their adsorption nature and differences between the two functional versions vdW-DF1 and vdW-DF2. The bigger size of the C60 molecule makes it bind stronger to the surface than benzene, yet the interface between the molecules and the sheets are similar in nature. The binding separation is more sensitive to the exchange variant used in vdW-DF than to the correlation version. This result is related to the exchange and correlation components of the potential energy curve (PEC). We show that a moderate dipole forms for C60 on graphene, unlike for the other adsorption systems. We find that the corrugation is very sensitive to the variant or version of vdW-DF used, in particular the exchange. Further, we show that this sensitivity arise indirectly through the shift in binding separation caused by ...

phonon calculations and experimental heat-capacity data to provide harmonic and anharmonic estimates theory and experiment. When the vibrational and exact-exchange contributions are coupled with a many-made force fields8 to generic force fields such as OPLS14 and CHARMM15 to first-principles methods

gas hydrates. Gas hydrates are crystalline com- pounds that are often encountered in oil and gas briefly present the hydrate crystalline structure and the role of hydrates in oil-and gas industry the industrial contexts where they appear, we shall cite : hydrate plugs obstructing oil- or gas

This report describes the first steps toward creating the organization, procedures, plans and tools for distributed energy resources (DER) equipment certification, test laboratory accreditation, and interconnection agreements. It covers the activities and accomplishments during the first period of a multiyear effort. It summarizes steps taken to outline a certification plan to assist in the future development of an interim plan for certification and accreditation activities. It also summarizes work toward a draft plan for certification, a beta Web site to support communications and materials, and preliminary draft certification criteria.

In an effort to accelerate deployment of Distributed Energy Resources (DER) such as wind, solar, and conventional backup generators to our nation's electrical grid, Northern Power Systems (NPS), the California Energy Commission (CEC), and the National Renewable Energy Laboratory (NREL) collaborated to create a prototype universal interconnect device called the DER Switch.

Information Science #12;3 Informationswissenschaft an der Universität Konstanz Department of Computer and Information Science at the University of Constance Institute for Library Science - Humboldt University;4 Informationswissenschaft an der Universität Konstanz Department of Computer and Information Science at the University

The intent of this study was two-fold. The first purpose was to apply Van Manen's model to specific strategies (i.e., written assignments) and supervisory practices (i.e., interviews) to examine levels of reflectivity ...

with antioxidant properties to alleviate the stress. Because it is believed that the injury is due to the lack of nitric oxide, van Lith is also working to modify a peptide to deploy nitric oxide at the site

engineering process. Within this project a dynamic logic for JavaCard, Java's subset for smart cardThe loop compiler for Java and JML Joachim van den Berg, Bart Jacobs Computing Science Institute into their semantics in higher order logic. It serves as a front-end to a the- orem prover in which the actual veri#12

The Van Allen electron belts consist of two regions encircling the earth in which relativistic electrons are trapped in the earth's magnetic field. Populations of relativistic electrons in the Van Allen belts vary greatly with geomagnetic disturbance and they are a major source of damage to space vehicles. In order to know when and by how much these populations of relativistic electrons increase, it is important to elucidate not only the cause of acceleration of relativistic electrons but also the cause of their loss from the Van Allen belts. Here we show the first evidence that left-hand polarized electromagnetic ion cyclotron (EMIC) plasma waves can cause the loss of relativistic electrons into the atmosphere, on the basis of results of an excellent set of ground and satellite observations showing coincident precipitation of ions with energies of tens of keV and of relativistic electrons into an isolated proton aurora. The proton aurora was produced by precipitation of ions with energies of tens of keV due to EMIC waves near the plasma pause, which is a manifestation of wave-particle interactions. These observations clarify that ions with energies of tens of keV affect the evolution of relativistic electrons in the Van Allen belts via parasitic resonance with EMIC waves, an effect that was first theoretically predicted in the early 1970's.

Message-Generated Kripke Semantics Jan van Eijck and Floor Sietsma ABSTRACT We show how to generate multi-agent Kripke models from message exchanges. With these models we can analyze the epistemic con- sequences of a message exchange. One novelty in this approach is that we include the messages in our logical

ISO's Work on Tactile and Haptic Interaction Guidelines Jan B.F. van Erp 1 Jim Carter 2 Ian Andrew on the guidelines document, including an introduction of the framework that will be used to structure the guidance from 40 research papers and from 10 ISO standards. Keywords: haptic, tactile, guidelines, standards. 1

The Stable Equivalence and Cancellation Problems Leonid Makar-Limanov #3; Peter van Rossum Vladimir are isomorphic. In this paper, we focus on a related problem: given two varieties with equivalent (under an automorphism of A n+1 ) cylinders V 1 #2;A 1 and V 2 #2;A 1 , are V 1 and V 2 equivalent under an automorphism

Virtual Team Performance Depends on Distributed Leadership Nico van Dijk and Joost Broekens Media virtual team collaboration. A number of competitive synchronous virtual teams were investigated in-situ and unobtrusively. We observed a large gap in team performance between the various teams. An initial statistic study

Joint Buffer & Server Allocation Van Woensel et al. Buffer and Server Allocation in General Multi-Server Abstract -- This paper deals with the joint optimization of the number of buffers and servers, an important issue since buffers and servers represent a significant amount of investment for many companies

Neural network tool for rapid recovery of plasma topology V. Tribaldos and B. Ph. van Milligen of neural networks as fitting tools is described; examples of the method for a D-shaped tokamak with an X and general conclusions are drawn. II. USING NEURAL NETWORKS AS FITTING TOOLS The major problem of fitting

, Science and Technology, Japan Prof Dr Paul Van Cauwenberge, Rector of Ghent University Dr Hideki Fukuda and Technology, Japan; The Ministry of Foreign Affairs of Japan; The Ministry of Economy, Trade and Industry University [Room 314] 13:30 - 18:00 Bacillus research is one of the leading activities in biotechnology

Bone ingrowth in a shoulder prosthesis E.M.van Aken 1107895 emvanaken@hotmail.com Delft, 2006 and to relief the pain, a prosthesis to replace the glenoid of the shoulder joint is an option. The shoulder. The prosthesis, often made of stainless steal combined with polyethylene, re- #12;4 places this glenoid cavity

Missing working memory deficit in dyslexia: children writing from memory Erlijn van Genuchtena,b (e of writing processes of children with dyslexia, in order to examine the relationship between WM and writing. An experiment was used in which children with dyslexia, and chronological age-matched and reading age

Helium, for Learning Haskell Bastiaan Heeren Daan Leijen Arjan van IJzendoorn Institute {bastiaan, daan, afie}@cs.uu.nl Abstract Helium is a user-friendly compiler designed especially for learn concern both in the choice of the language features and in the implementation of the compiler. Helium

significantly and the system might not be able to cope with demand. In many preventive maintenance policiesCondition based maintenance model for a production deteriorating system Phuc Do Van and Christophe both maintenance cost and production capacity aspects for a single unit production system whose

The Assessment of Evidence in the Discovery of a Higgs Boson David A. van Dyk* Imperial College London, United Kingdom dvandyk@imperial.ac.uk The 2012-2013 discovery of a Higgs boson filled the last in a 40-year search that culminated in the discovery of a Higgs boson. This talk reviews these statistical

Degree Distribution and Hopcount in Wireless Ad-hoc Networks R. Hekmat, P. Van Mieghem Delft focus in this article is on the degree distribution and hopcount in these networks. The results that the degree distribution in wireless ad-hoc networks is binomial for low values of the mean degree. Further

The Geology and History of the Bodie Mining District Jacob van Wesenbeeck Figure reproduced from://picasaweb.google.com/103418918222962184685/Day9#5746706069412311826 #12;Abstract The Bodie mining district, in Mono County, California a hydrothermal system to develop in which water was heated underground and forced to the surface, where

On CSP and the Algebraic Theory of Effects Rob van Glabbeek and Gordon Plotkin Abstract We consider CSP from the point of view of the algebraic theory of effects, which classifies operations as effect in terms of two versions of the stable failures model of CSP, one more general than the other

From mini-clouds to Cloud Computing Boris Mej´ias, Peter Van Roy Universit´e catholique de Louvain ­ Belgium {boris.mejias|peter.vanroy}@uclouvain.be Abstract Cloud computing has many definitions with different views within industry and academia, but everybody agrees on that cloud computing is the way

of obtaining self-aligned sub- lithographic dimensions. In many processes were spacers are applied to separate-etching affects the dimensions of the spacer which could lead to a lack of control over the spacer-related deviceLPCVD SILICON NITRIDE-ON-SILICON SPACER TECHNOLOGY H. W. van Zeijl, L.K. Nanver DIMES Delft

Measurement Program Success Factors Revisited Frank Niessink and Hans van Vliet Division.vu.nl Abstract Success factors for measurement programs as identified in the literature typically focus on the `internals' of the measurement program: incremental implementation, support from manage- ment, a well

LYAPUNOV SPECTRAL INTERVALS: THEORY AND COMPUTATION #3; LUCA DIECI y AND ERIK S. VAN VLECK z dichotomy of Sacker and Sell and the spectrum de#12;ned in terms of upper and lower Lyapunov exponents information. Finally, we discuss the algorithms we have used to approximate the Lyapunov and Sacker

Lyapunov instability of rough hard-disk fluids Jacobus A. van Meel* FOM Institute for Atomic The dynamical instability of rough hard-disk fluids in two dimensions is characterized through the Lyapunov, measured by the maximum Lyapunov exponent, is only enhanced by the rotational degrees of freedom for high

How Many Potatoes Are in a Mesh? Marc van Kreveld1 , Maarten L¨offler1 , and J´anos Pach2 1 Dept analyze how many convex polygons (potatoes) can be con- structed by taking unions of triangles from Springer-Verlag Berlin Heidelberg 2012 #12;How Many Potatoes Are in a Mesh? 167 Table 1. Results

In numerous projects, government agencies are demonstrating the economic and environmental value of using distributed energy resources (DER) to provide reliable electricity for Federal facilities. These projects also show how renewable DER systems such as photovoltaics (PV) can be effectively integrated into utility power grids to provide added power during peak demand periods in populous regions and states. This four-page case study describes a recent project in which the United States Postal Service (USPS) worked with the U.S. Department of Energy (DOE) Federal Energy Management Program (FEMP), a national laboratory, the local utility, and a private company to install a PV DER system at the USPS Marina Processing and Distribution Center in Inglewood, California. This system is expected to shave 10% off the facility's 1.2-megawatt peak power demand and save more $25,000 per year in utility costs.

The purpose of this thesis is to present the results obtained by incorporating phase change materials (PCMs) into the conventional insulated walls of commercial refrigerated van trailers (herein referred to as "refrigerated trucks"). The idea...

The vision of the Distributed Energy Research Program (DER) program of the U.S. Department of Energy (DOE) is that the United States will have the cleanest and most efficient and reliable energy system in the world by maximizing the use of affordable distributed energy resources. Electricity consumers will be able to choose from a diverse number of efficient, cost-effective, and environmentally friendly distributed energy options and easily connect them into the nation's energy infrastructure while providing benefits to their owners and other stakeholders. The long-term goal of this vision is that DER will achieve a 20% share of new electric capacity additions in the United States by 2010, thereby helping to make the nation's electric power generation and delivery system more efficient, reliable, secure, clean, economical, and diverse in terms of fuel use (oil, natural gas, solar, hydroelectric, etc.) and prime mover resource (solar, wind, gas turbines, etc.). Near- and mid-term goals are to develop new technologies for implementing and operating DER and address barriers associated with DER usage and then to reduce costs and emissions and improve the efficiency and reliability of DER. Numerous strategies for meeting these goals have been developed into a research, development, and demonstration (RD&D) program that supports generation and delivery systems architecture, including modeling and simulation tools. The benefits associated with DER installations are often significant and numerous. They almost always provide tangible economic benefits, such as energy savings or transmission and distribution upgrade deferrals, as well as intangible benefits, such as power quality improvements that lengthen maintenance or repair intervals for power equipment. Also, the benefits routinely are dispersed among end users, utilities, and the public. For instance, an end user may use the DER to reduce their peak demand and save money due to lower demand charges. Reduced end user peak demand, in turn, may lower a distribution system peak load such that upgrades are deferred or avoided. This could benefit other consumers by providing them with higher reliability and power quality as well as avoiding their cost share of a distribution system upgrade. In this example, the costs of the DER may be born by the end user, but that user reaps only a share of the benefits. This report, the first product of a study to quantify the value of DER, documents initial project efforts to develop an assessment methodology. The focus of currently available site-specific DER assessment techniques are typically limited to two parties, the owner/user and the local utility. Rarely are the impacts on other stakeholders, including interconnected distribution utilities, transmission system operators, generating system operators, other local utility customers, local and regional industry and business, various levels of government, and the environment considered. The goal of this assessment is to quantify benefits and cost savings that accrue broadly across a region, recognizing that DER installations may have local, regional, or national benefits.

This work gives a van't Hoff law expression of Langmuir constants of different species for determining their occupancy in the nanocavities of clathrate hydrates. The van't Hoff law's parameters are derived from a fit with Langmuir constants calculated using a pairwise site-site interaction potential to model the anisotropic potential environment in the cavities, as a function of temperature. The parameters can be used for calculating clathrates compositions. Results are given for nineteen gas species trapped in the small and large cavities of structure types I and II [1]. The accuracy of this approach is based on a comparison with available experimental data for ethane and cyclo- propane clathrate hydrates. The numerical method applied in this work, was recently validated from a comparison with the spherical cell method based on analytical considerations [1